SCHEMBL4122359

SCHEMBL4122359

O=C(c1cc(O)cc(Cl)c1O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
MGLL Q99685 1/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SRD5A2 P31213 1/20 0.36
POLB P06746 1/20 0.36
BCL2L1 Q07817 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4121777 0.91 ALDH1A1 (0.41) MGLLTSHRCYP2D6AKR1C4AKR1C3
SCHEMBL13696934 0.84 NPC1 (0.43) CNR2CNR1TSHRCYP2D6CYP2C9
SCHEMBL14435149 0.80 CNR2 (0.40) CNR2CNR1MGLLTSHRHPGD
SCHEMBL4132557 0.80 TAS1R3 (0.41) CNR2CNR1TSHRCYP2D6CYP2C9
SCHEMBL5147432 0.77 CNR1 (0.59) CNR2CNR1MGLLTSHRCYP2D6
SCHEMBL424526 0.77 AKR1C4 (0.58) CNR2CNR1TSHRCYP2D6AKR1C4
SCHEMBL13696933 0.75 AKR1C2 (0.41) TSHRCYP2D6AKR1C4AKR1C3AKR1C2
SCHEMBL9820901 0.74 CNR1 (0.49) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL4113720 0.74 CNR1 (0.35) CNR2CNR1TSHRHPGD
SCHEMBL4122910 0.72 CA12 (0.50) CNR2CNR1TSHRALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
CN-101193855-A Substituted aryl oximes BAYER CROPSCIENCE AG (DE) 2008-06-04 CN disclosed
EP-1883622-A1 SUBSTITUTED ARYL OXIMES Bayer CropScience Aktiengesellschaft (DE) 2008-02-06 EP disclosed
WO-2007090434-A1 SUBSTITUTED ARYL OXIMES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090221596-A1 Substtituted aryl oximes CYP1A1, PRDX1, CYP1A2 CNR2 666/4885CNR1 408/4885MGLL 2420/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.